RefChem:379815
TL;DR: RefChem:379815 (CAS 14034-35-6) is a chemical compound with molecular formula C18H21ClN2O4 and molecular weight 364.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(benzylamino)propanoylamino]-2-hydroxybenzoate;hydrochloride
Also Known As: Methyl 4-(3-(benzylamino)propionamido)salicylate monohydrochloride, Salicylic acid, 4-(3-(benzylamino)propionamido)-, methyl ester, monohydrochloride, 4-(3-(Benzylamino)propionamido)salicylic acid methyl ester hydrochloride, methyl 4-[3-(benzylamino)propanoylamino]-2-hydroxybenzoate hydrochloride, Methyl 4-[(N-benzyl-beta-alanyl)amino]-2-hydroxybenzoate--hydrogen chloride (1/1)
| Molecular Formula | C18H21ClN2O4 |
|---|---|
| Molecular Weight | 364.12 g/mol |
| LogP | 2.719 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.119 |
| Heavy Atoms | 25 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 14034-35-6 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)NC(=O)CCNCC2=CC=CC=C2)O.Cl |
| InChIKey | LPWFIKGZJGURDT-UHFFFAOYSA-N |
Product Overview
RefChem:379815 (CAS 14034-35-6), with molecular formula C18H21ClN2O4 and molecular weight 364.12 g/mol. IUPAC: methyl 4-[3-(benzylamino)propanoylamino]-2-hydroxybenzoate;hydrochloride.
Chemical Property Profile of RefChem:379815
Property Insights of RefChem:379815
The XLogP value of 2.719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:379815. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:379815. Following Lipinski's Rule of Five, RefChem:379815 has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:379815?
The CAS number of RefChem:379815 is 14034-35-6.
What is the molecular formula of RefChem:379815?
The molecular formula of RefChem:379815 is C18H21ClN2O4.
What is the molecular weight of RefChem:379815?
The molecular weight of RefChem:379815 is 364.12 g/mol.
Where can I buy RefChem:379815?
You can request a quote for RefChem:379815 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:379815?
Yes, KEHONG BIO provides custom synthesis services for RefChem:379815 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.